Molecule
ID:58860
General Information
Molecular Formula
C₅H₄F₂N₂
Molecular Mass
130.0954664
Exact Mass
130.03425458
Charge
0
InChI
InChI=1S/C5H4F2N2/c6-5(7)4-1-8-3-9-2-4/h1-3,5H
InChIKey
QHHDFZKKOOQUHD-UHFFFAOYSA-N
Canonic Smiles
FC(c1cncnc1)F
Isomeric Smiles
c1ncc(cn1)C(F)F
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
0.43881452
LogD (pH = 7.4)
0.43882334
Log P
0.43882343
Molar Refractivity
27.8063
Polarizability
10.011148
Polar Surface Area
25.78
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Loading...
Names and Identifiers
Loading...
Registration numbers
Loading...
Properties
Loading...
Related Proteins
No Data Available
Click here to submit data
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
暂无数据
点击上传数据
References
Loading...
Bioactivity
Loading...